CID 16205045

27969-85-3

Structural Information

Molecular Formula
C5H6N2O2
SMILES
C1=CC(=O)NC(=C1N)O
InChI
InChI=1S/C5H6N2O2/c6-3-1-2-4(8)7-5(3)9/h1-2H,6H2,(H2,7,8,9)
InChIKey
NDTRUILHKVKGFL-UHFFFAOYSA-N
Compound name
5-amino-6-hydroxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

126.04293 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 121.1
[M+Na]+ 149.032148 130.6
[M-H]- 125.035654 121.2
[M+NH4]+ 144.076753 140.4
[M+K]+ 165.006088 127.7
[M+H-H2O]+ 109.040190 115.6
[M+HCOO]- 171.041131 143.7
[M+CH3COO]- 185.056781 166.5
[M+Na-2H]- 147.017596 128.2
[M]+ 126.04238142 117.4
[M]- 126.04347858 117.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.